Compound Detail
CHEMBL5859880
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(S(=O)(=O)Nc4ncc(F)cn4)cc3)cc12
Basic Information
| ChEMBL ID | CHEMBL5859880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZDOYHVGPBMQIF-FOIFJWKZSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
477.5
MW (Da)
4.02
ALogP
6
HBA
2
HBD
113.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 9.19 | 9.19 | 0.7 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 8.14 | 8.14 | 7.3 | 1 |
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 7.03 | 7.03 | 93.0 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 6.92 | 6.92 | 121.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 0.65 | nM | 9.19 | JAK Kinase Assays: Compounds were prepared in the exact same manner as described... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 3.9 | nM | 8.41 | JAK Kinase Assays: Compounds were prepared in the exact same manner as described... | - |
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 7.3 | nM | 8.14 | ROCK Kinase Inhibition Assays: All compounds were initially prepared as 10 mM st... | - |
| Rho-associated protein kinase 2 | IC50 | = | 93.0 | nM | 7.03 | ROCK Kinase Inhibition Assays: All compounds were initially prepared as 10 mM st... | - |
| Rho-associated protein kinase 1 | IC50 | = | 121.0 | nM | 6.92 | ROCK Kinase Inhibition Assays: All compounds were initially prepared as 10 mM st... | - |
Data from ChEMBL 36 via Core Engine